CID 747897

2-(4-aminophenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)N)C(=O)O
InChI
InChI=1S/C16H12N2O2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,17H2,(H,19,20)
InChIKey
XYOZPCKKENHWOG-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

264.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 159.5
[M+Na]+ 287.07909 174.6
[M+NH4]+ 282.12369 167.7
[M+K]+ 303.05303 167.3
[M-H]- 263.08259 164.2
[M+Na-2H]- 285.06454 168.2
[M]+ 264.08932 163.0
[M]- 264.09042 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe